beta-D-gentiobiosyl crocetin

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  • Identifiers

    CAS number
    55750-85-1

    Molecular formula
    C32H44O14

    SMILES
    C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)/C=C/C=C(\C)/C(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 37.23%
    Sweet 33.44%
    Spicy 29.52%
    Citrus 20.77%
    Fresh 19.69%
    Warm 19.23%
    Milky 18.89%
    Savory 17.66%
    Balsamic 17.36%
    Herbal 17.19%

     

    Flavor
    Bitter 68.42%
    Odorless 25.16%
    Oriental 19.76%
    Cedarleaf 19.73%
    Sweet-like 19.69%
    Nitrile 19.54%
    Bland 19.22%
    Lovage 19.1%
    Basil 18.98%
    Heather 18.95%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    5.03 (weak acid)

    Molecular weight
    652.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    3932°C

    Flash point

    • 294.01 ˚C est.

  • Synonyms

    • beta-D-gentiobiosyl crocetin
    • CHEBI:62769
    • 1-O-[(2E,4E,6E,8E,10E,12E,14E)-15-carboxy-2,6,11-trimethylhexadeca-2,4,6,8,10,12,14-heptaenoyl]-6-O-beta-D-glucopyranosyl-beta-D-glucopyranose
    • 1-O-((2E,4E,6E,8E,10E,12E,14E)-15-carboxy-2,6,11-trimethylhexadeca-2,4,6,8,10,12,14-heptaenoyl)-6-O-beta-D-glucopyranosyl-beta-D-glucopyranose
    • RefChem:1079652
    • Crocin III
    • 55750-85-1
    • Crocin 3
    • trans-Crocetin (beta-D-gentiobiosyl) ester
    • CHEMBL450567
    • (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-Tetramethyl-16-oxo-16-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)hexadeca-2,4,6,8,10,12,14-heptaenoic acid
    • crocetin mono(beta-gentiobiosyl) ester
    • (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethyl-16-oxo-16-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexadeca-2,4,6,8,10,12,14-heptaenoic acid
    • trans-crocetin beta-D-gentiobiosyl ester
    • all-trans-crocetin mono(beta-D-gentiobiosyl) ester
    • trans-crocin 2
    • trans-crocin-2
    • Crocin-2
    • trans-2-G
    • Crocin III (Standard)
    • mono-gentiobiosyl-crocetin
    • orb1296906
    • SCHEMBL15726711
    • HY-N6644R
    • crocetin mono-beta-D-gentiobioside
    • DTXSID901318732
    • HY-N6644
    • crocetin (beta-D-gentabiosyl) ester
    • BDBM50260196
    • AKOS040763795
    • crocetin mono-beta-D-gentiobiosyl ester
    • EBC-617635
    • (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethyl-16-oxo-16-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}hexadeca-2,4,6,8,10,12,14-heptaenoic acid
    • DA-62506
    • MS-30972
    • trans-Crocetin (|A-D-gentiobiosyl) ester
    • trans crocetin (beta-D-gentiobiosyl) ester
    • CS-0062877
    • C19869
    • E80775
    • trans-crocetin mono(beta-D-gentiobiosyl) ester
    • Q27132163
    • (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethyl-16-oxo-16-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)hexadeca-2,4,6,8,10,12,14-heptaenoic aci
    • (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethyl-16-oxo-16-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-hexadeca-2,4,6,8,10,12,14-heptaenoic acid
    • 55750-85-1

  • Applications

    beta-D-gentiobiosyl crocetin (CAS 55750-85-1) is a glycosylated carotenoid that can function as a colorant and natural pigment; the gentiobiose moiety improves water solubility relative to crocetin, enabling formulation in certain cosmetic and coating systems. Real-world use cases are typically explored in four areas: as a natural colorant in cosmetics/personal care, as a colorant in food processing or other food-contact applications (subject to regulatory approval), as a pigment additive in coatings and inks, and as an intermediate or building block in carotenoid synthesis for industrial research and manufacturing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.91
    methanol 14.41
    isopropanol 1.88
    water 0.31
    ethyl acetate 1.55
    n-propanol 3.63
    acetone 5.05
    n-butanol 2.24
    acetonitrile 1.0
    DMF 33.59
    toluene 0.43
    isobutanol 1.24
    1,4-dioxane 7.29
    methyl acetate 2.44
    THF 16.36
    2-butanone 4.08
    n-pentanol 1.29
    sec-butanol 2.01
    n-hexane 0.03
    ethylene glycol 4.58
    NMP 39.31
    cyclohexane 0.06
    DMSO 58.42
    n-butyl acetate 0.28
    n-octanol 1.05
    chloroform 1.34
    n-propyl acetate 0.52
    acetic acid 17.86
    dichloromethane 1.57
    cyclohexanone 5.12
    propylene glycol 8.07
    isopropyl acetate 0.79
    DMAc 49.12
    2-ethoxyethanol 11.63
    isopentanol 1.0
    n-heptane 0.05
    ethyl formate 2.0
    1,2-dichloroethane 1.03
    n-hexanol 0.5
    2-methoxyethanol 28.35
    isobutyl acetate 0.2
    tetrachloromethane 0.22
    n-pentyl acetate 0.98
    transcutol 15.73
    n-heptanol 1.05
    ethylbenzene 0.16
    MIBK 0.88
    2-propoxyethanol 5.39
    tert-butanol 1.11
    MTBE 0.78
    2-butoxyethanol 5.14
    propionic acid 4.51
    o-xylene 0.34
    formic acid 21.41
    diethyl ether 1.23
    m-xylene 0.25
    p-xylene 0.15
    chlorobenzene 0.24
    dimethyl carbonate 3.43
    n-octane 0.04
    formamide 19.26
    cyclopentanone 9.94
    2-pentanone 2.63
    anisole 0.78
    cyclopentyl methyl ether 2.45
    gamma-butyrolactone 10.94
    1-methoxy-2-propanol 15.44
    pyridine 3.51
    3-pentanone 2.1
    furfural 8.32
    n-dodecane 0.03
    diethylene glycol 7.12
    diisopropyl ether 0.16
    tert-amyl alcohol 1.45
    acetylacetone 4.41
    n-hexadecane 0.03
    acetophenone 1.1
    methyl propionate 3.04
    isopentyl acetate 0.25
    trichloroethylene 2.08
    n-nonanol 1.02
    cyclohexanol 1.46
    benzyl alcohol 1.43
    2-ethylhexanol 0.23
    isooctanol 0.6
    dipropyl ether 0.53
    1,2-dichlorobenzene 0.24
    ethyl lactate 1.54
    propylene carbonate 2.44
    n-methylformamide 14.2
    2-pentanol 0.98
    n-pentane 0.06
    1-propoxy-2-propanol 2.71
    1-methoxy-2-propyl acetate 1.4
    2-(2-methoxypropoxy) propanol 3.82
    mesitylene 0.13
    ε-caprolactone 4.82
    p-cymene 0.09
    epichlorohydrin 8.28
    1,1,1-trichloroethane 0.38
    2-aminoethanol 7.59
    morpholine-4-carbaldehyde 28.13
    sulfolane 26.37
    2,2,4-trimethylpentane 0.03
    2-methyltetrahydrofuran 3.8
    n-hexyl acetate 1.19
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 6.14
    sec-butyl acetate 0.33
    tert-butyl acetate 0.8
    decalin 0.02
    glycerin 18.98
    diglyme 11.06
    acrylic acid 7.13
    isopropyl myristate 0.29
    n-butyric acid 4.08
    acetyl acetate 1.15
    di(2-ethylhexyl) phthalate 0.53
    ethyl propionate 0.7
    nitromethane 18.95
    1,2-diethoxyethane 1.71
    benzonitrile 0.43
    trioctyl phosphate 0.43
    1-bromopropane 0.4
    gamma-valerolactone 22.67
    n-decanol 0.59
    triethyl phosphate 0.35
    4-methyl-2-pentanol 0.34
    propionitrile 0.75
    vinylene carbonate 2.51
    1,1,2-trichlorotrifluoroethane 14.56
    DMS 1.12
    cumene 0.1
    2-octanol 0.61
    2-hexanone 0.91
    octyl acetate 0.62
    limonene 0.16
    1,2-dimethoxyethane 8.84
    ethyl orthosilicate 0.36
    tributyl phosphate 0.35
    diacetone alcohol 3.55
    N,N-dimethylaniline 0.78
    acrylonitrile 1.51
    aniline 1.24
    1,3-propanediol 9.34
    bromobenzene 0.18
    dibromomethane 0.67
    1,1,2,2-tetrachloroethane 2.12
    2-methyl-cyclohexyl acetate 0.36
    tetrabutyl urea 0.8
    diisobutyl methanol 0.13
    2-phenylethanol 0.68
    styrene 0.17
    dioctyl adipate 0.72
    dimethyl sulfate 8.05
    ethyl butyrate 0.38
    methyl lactate 7.12
    butyl lactate 1.73
    diethyl carbonate 0.23
    propanediol butyl ether 6.5
    triethyl orthoformate 0.52
    p-tert-butyltoluene 0.1
    methyl 4-tert-butylbenzoate 1.99
    morpholine 11.75
    tert-butylamine 0.31
    n-dodecanol 0.34
    dimethoxymethane 15.02
    ethylene carbonate 1.73
    cyrene 7.29
    2-ethoxyethyl acetate 2.51
    2-ethylhexyl acetate 0.19
    1,2,4-trichlorobenzene 0.45
    4-methylpyridine 1.84
    dibutyl ether 0.53
    2,6-dimethyl-4-heptanol 0.13
    DEF 6.3
    dimethyl isosorbide 4.1
    tetrachloroethylene 1.5
    eugenol 2.06
    triacetin 2.15
    span 80 3.54
    1,4-butanediol 3.13
    1,1-dichloroethane 0.48
    2-methyl-1-pentanol 0.79
    methyl formate 9.78
    2-methyl-1-butanol 1.32
    n-decane 0.06
    butyronitrile 0.62
    3,7-dimethyl-1-octanol 0.41
    1-chlorooctane 0.25
    1-chlorotetradecane 0.07
    n-nonane 0.05
    undecane 0.04
    tert-butylcyclohexane 0.02
    cyclooctane 0.03
    cyclopentanol 2.65
    tetrahydropyran 2.95
    tert-amyl methyl ether 1.04
    2,5,8-trioxanonane 7.11
    1-hexene 0.11
    2-isopropoxyethanol 4.08
    2,2,2-trifluoroethanol 6.45
    methyl butyrate 1.05

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction